%chk=000106941.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106941

0 1
 O   -1.803300     -0.3413000     -0.2766000    
 O   -3.511200      -1.425100      0.8328000    
 C   -4.000900      0.4093000     -0.6884000    
 C   -4.813100       1.285100      0.2766000    
 C   -4.921400     -0.3929000      -1.604000    
 C   -3.107200     -0.5633000      6.2600002E-02
 C   -3.928300       2.111800       1.200900    
 C  -0.8494000      -1.211000      0.3411000    
 C   0.5185000     -0.8372000     -0.1328000    
 C    2.872700     -0.1012000      0.2747000    
 C    1.508000     -0.4633000      0.6932000    
 C    3.104000      0.2703000      -1.040400    
 C    3.900700     -0.1385000       1.203600    
 C    4.396600      0.6129000      -1.437000    
 C    5.193300      0.2043000      0.8069000    
 C    5.441200      0.5800000     -0.5134000    
 H   -3.376000       1.059600      -1.313700    
 H   -5.455300       1.962600     -0.2988000    
 H   -5.474100      0.6610000      0.8906000    
 H   -5.584100      -1.051200      -1.031000    
 H   -5.544900      0.2733000      -2.209200    
 H   -4.339400      -1.023600      -2.285000    
 H   -3.338900       1.477000       1.869500    
 H   -4.545900       2.767100       1.823700    
 H   -3.241100       2.740600      0.6261000    
 H   -1.058700      -2.245800      4.6599999E-02
 H  -0.9336000      -1.126200       1.430900    
 H   0.6712000     -0.9187000      -1.204700    
 H    1.317400     -0.4264000       1.763500    
 H    2.318700      0.3315000      -1.787100    
 H    3.723900     -0.4305000       2.235400    
 H    4.589500      0.9105000      -2.463600    
 H    6.007000      0.1787000       1.525900    
 H    6.447500      0.8482000     -0.8218000    


%chk=000106941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106941

0 1
O -1.808748 -0.043294 0.000788
O -3.516878 -1.600128 0.343216
C -4.035979 0.583061 -0.700252
C -5.054558 1.096858 0.360437
C -4.765632 -0.017415 -1.928121
C -3.138949 -0.478714 -0.071198
C -4.396457 1.780695 1.577329
C -0.820147 -1.002618 0.616321
C 0.516598 -0.744235 -0.007024
C 2.977644 -0.121960 0.198871
C 1.613055 -0.361412 0.708107
C 3.345681 -0.302973 -1.166015
C 3.980290 0.313234 1.111250
C 4.663389 -0.052114 -1.596465
C 5.300489 0.564592 0.681479
C 5.648830 0.383113 -0.676419
H -3.391577 1.423368 -1.016426
H -5.733018 1.810316 -0.147196
H -5.673882 0.241609 0.693679
H -5.368463 -0.891894 -1.625800
H -5.439127 0.737269 -2.372837
H -4.052517 -0.342542 -2.706825
H -3.759103 1.074331 2.140421
H -5.163176 2.166602 2.273347
H -3.760821 2.629577 1.263852
H -1.197208 -2.026165 0.428926
H -0.813135 -0.820641 1.705929
H 0.570411 -0.895151 -1.093057
H 1.485621 -0.208356 1.791253
H 2.600162 -0.643144 -1.893362
H 3.715366 0.456451 2.166458
H 4.927830 -0.196636 -2.650121
H 6.054710 0.900229 1.401875
H 6.672696 0.575686 -1.015321


